On Wed, 2013-11-13 at 12:45 -0700, Daniel Roe wrote:
> Hi,
>
> As I mentioned earlier, you need to use cpptraj version 13. You can
> get an updated version of AmberTools here:
> http://ambermd.org/AmberTools-get.html. Instructions for installing
> AmberTools 13 alongside older Amber distributions can be found in the
> manual and over on Jason's wiki:
> http://jswails.wikidot.com/installing-amber12-and-ambertools-13
You can also upgrade AmberTools 12 to AmberTools 13 in-place. You can
re-run configure to pull in all available updates:
./configure gnu
After all updates have been applied, you can use "update_amber" to
upgrade to AmberTools 13:
./update_amber --upgrade
Then re-run configure (again pulling in all updates to AmberTools 13
this time), and rebuild. The whole sequence will look something like
this:
cd $AMBERHOME
./configure gnu
./update_amber --upgrade
./configure gnu
make install
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Nov 13 2013 - 12:00:04 PST
